| Chain sequence(s) |
A: MSQAYSSSQRVSSYRRTFGGAPGFPLGSPLSSPVFPRAGFGSKGSSSSVTSRVYQVSRTSGGAGGLGSLRASRLGTTRTPSSYGAGELLDFSLADAVNQEFLTTRTNEKVELQELNDRFANYIEKVRFLEQQNAALAAEVNRLKGREPTRVAELYEEELRELRRQVEVLTNQRARVDVERDNLLDDLQRLKAKLQEEIQLKEEAENNLAAFRADVDAATLARIDLERRIESLNEEIAFLKKVHEEEIRELQAQLQEQQVQVEMDMSKPDLTAALRDIRAQYETIAAKNISEAEEWYKSKVSDLTQAANKNNDALRQAKQEMMEYRHQIQSYTCEIDALKGTNDSLMRQMRELEDRFASEASGYQDNIARLEEEIRHLKDEMARHLREYQDLLNVKMALDVEIATYRKLLEGEESRINLPIQTYSALNFRETSPEQRGSEVHTKKTVMIKTIETRDGEVVSEATQQQHEVL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | RW454A,IL367A,LP409A,EV457A,GR456A,TI453A,ED401A,MV381A,RW406A,EK434A,RP52A,HR326A,LF232A,AP337A,ED412A,RC127A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 12.2185 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] FoldX: Building mutant model (00:06:58)
[INFO] FoldX: Starting FoldX energy minimalization (00:10:42)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:16:28)
[INFO] Main: Simulation completed successfully. (00:16:33)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.6984 | |
| 2 | S | A | -0.1628 | |
| 3 | Q | A | -0.7406 | |
| 4 | A | A | -0.0485 | |
| 5 | Y | A | 0.8008 | |
| 6 | S | A | -0.0646 | |
| 7 | S | A | -0.6231 | |
| 8 | S | A | -1.0507 | |
| 9 | Q | A | -1.7363 | |
| 10 | R | A | -1.7355 | |
| 11 | V | A | -0.0872 | |
| 12 | S | A | -0.4733 | |
| 13 | S | A | -0.4157 | |
| 14 | Y | A | 0.3437 | |
| 15 | R | A | -1.5372 | |
| 16 | R | A | -1.8665 | |
| 17 | T | A | -0.4287 | |
| 18 | F | A | 0.7804 | |
| 19 | G | A | -0.7760 | |
| 20 | G | A | -0.9598 | |
| 21 | A | A | -0.2460 | |
| 22 | P | A | -0.2615 | |
| 23 | G | A | 0.4526 | |
| 24 | F | A | 1.8978 | |
| 25 | P | A | 1.1586 | |
| 26 | L | A | 1.6075 | |
| 27 | G | A | 0.4810 | |
| 28 | S | A | 0.0291 | |
| 29 | P | A | 0.2082 | |
| 30 | L | A | 1.1306 | |
| 31 | S | A | 0.4883 | |
| 32 | S | A | 0.4980 | |
| 33 | P | A | 1.1116 | |
| 34 | V | A | 2.2677 | |
| 35 | F | A | 2.2633 | |
| 36 | P | A | 0.2502 | |
| 37 | R | A | -1.1885 | |
| 38 | A | A | -0.4652 | |
| 39 | G | A | -0.0660 | |
| 40 | F | A | 1.2431 | |
| 41 | G | A | -0.0345 | |
| 42 | S | A | -0.9362 | |
| 43 | K | A | -2.1807 | |
| 44 | G | A | -1.5468 | |
| 45 | S | A | -0.9727 | |
| 46 | S | A | -0.3662 | |
| 47 | S | A | -0.0717 | |
| 48 | S | A | 0.4129 | |
| 49 | V | A | 1.4767 | |
| 50 | T | A | 0.6999 | |
| 51 | S | A | 0.6623 | |
| 52 | P | A | 0.8503 | mutated: RP52A |
| 53 | V | A | 2.1040 | |
| 54 | Y | A | 1.9061 | |
| 55 | Q | A | 0.4149 | |
| 56 | V | A | 1.1374 | |
| 57 | S | A | -0.4506 | |
| 58 | R | A | -1.7803 | |
| 59 | T | A | -1.0974 | |
| 60 | S | A | -1.1225 | |
| 61 | G | A | -1.0963 | |
| 62 | G | A | -0.8361 | |
| 63 | A | A | -0.8133 | |
| 64 | G | A | -0.6491 | |
| 65 | G | A | 0.0003 | |
| 66 | L | A | 0.9182 | |
| 67 | G | A | 0.4951 | |
| 68 | S | A | 0.2453 | |
| 69 | L | A | 0.4117 | |
| 70 | R | A | -1.1217 | |
| 71 | A | A | -1.0486 | |
| 72 | S | A | -1.1043 | |
| 73 | R | A | -1.2763 | |
| 74 | L | A | 0.3469 | |
| 75 | G | A | -0.1198 | |
| 76 | T | A | -0.4424 | |
| 77 | T | A | -1.1035 | |
| 78 | R | A | -1.9837 | |
| 79 | T | A | -1.1468 | |
| 80 | P | A | -0.8431 | |
| 81 | S | A | -0.1762 | |
| 82 | S | A | 0.1737 | |
| 83 | Y | A | 0.9349 | |
| 84 | G | A | 0.1074 | |
| 85 | A | A | -0.5147 | |
| 86 | G | A | -0.9479 | |
| 87 | E | A | -0.9309 | |
| 88 | L | A | 1.1585 | |
| 89 | L | A | 1.3454 | |
| 90 | D | A | 0.0027 | |
| 91 | F | A | 1.1193 | |
| 92 | S | A | 0.4421 | |
| 93 | L | A | 1.0244 | |
| 94 | A | A | 0.1044 | |
| 95 | D | A | -1.4399 | |
| 96 | A | A | -0.6169 | |
| 97 | V | A | -0.1691 | |
| 98 | N | A | -1.2122 | |
| 99 | Q | A | -1.9298 | |
| 100 | E | A | -1.9554 | |
| 101 | F | A | -0.4756 | |
| 102 | L | A | -0.6081 | |
| 103 | T | A | -1.4380 | |
| 104 | T | A | -1.8985 | |
| 105 | R | A | -3.0195 | |
| 106 | T | A | -2.1385 | |
| 107 | N | A | -2.8729 | |
| 108 | E | A | -3.7779 | |
| 109 | K | A | -3.2520 | |
| 110 | V | A | -1.8985 | |
| 111 | E | A | -3.2095 | |
| 112 | L | A | -2.0535 | |
| 113 | Q | A | -2.3296 | |
| 114 | E | A | -2.6202 | |
| 115 | L | A | -1.4722 | |
| 116 | N | A | -1.8644 | |
| 117 | D | A | -2.4756 | |
| 118 | R | A | -2.0057 | |
| 119 | F | A | 0.2706 | |
| 120 | A | A | -0.7110 | |
| 121 | N | A | -1.5037 | |
| 122 | Y | A | 0.6614 | |
| 123 | I | A | 1.2830 | |
| 124 | E | A | -0.9047 | |
| 125 | K | A | -0.6310 | |
| 126 | V | A | 0.0740 | |
| 127 | C | A | 0.0213 | mutated: RC127A |
| 128 | F | A | 0.5717 | |
| 129 | L | A | -0.3877 | |
| 130 | E | A | -2.1187 | |
| 131 | Q | A | -1.7266 | |
| 132 | Q | A | -1.3419 | |
| 133 | N | A | -1.7021 | |
| 134 | A | A | -1.1064 | |
| 135 | A | A | -0.8479 | |
| 136 | L | A | -0.1707 | |
| 137 | A | A | -0.5445 | |
| 138 | A | A | -1.1558 | |
| 139 | E | A | -1.6483 | |
| 140 | V | A | -1.3948 | |
| 141 | N | A | -3.0951 | |
| 142 | R | A | -3.7404 | |
| 143 | L | A | -3.1616 | |
| 144 | K | A | -4.0141 | |
| 145 | G | A | -3.8538 | |
| 146 | R | A | -4.1769 | |
| 147 | E | A | -3.8958 | |
| 148 | P | A | -2.0493 | |
| 149 | T | A | -2.2647 | |
| 150 | R | A | -2.5243 | |
| 151 | V | A | -0.7147 | |
| 152 | A | A | -1.4622 | |
| 153 | E | A | -2.7325 | |
| 154 | L | A | -1.3958 | |
| 155 | Y | A | -1.3179 | |
| 156 | E | A | -3.5046 | |
| 157 | E | A | -4.2148 | |
| 158 | E | A | -3.8710 | |
| 159 | L | A | -3.0521 | |
| 160 | R | A | -4.5495 | |
| 161 | E | A | -4.5256 | |
| 162 | L | A | -2.2104 | |
| 163 | R | A | -3.5113 | |
| 164 | R | A | -3.6284 | |
| 165 | Q | A | -1.7468 | |
| 166 | V | A | -0.7054 | |
| 167 | E | A | -2.1049 | |
| 168 | V | A | -0.3831 | |
| 169 | L | A | -0.7453 | |
| 170 | T | A | -1.3169 | |
| 171 | N | A | -1.9088 | |
| 172 | Q | A | -2.2987 | |
| 173 | R | A | -3.1460 | |
| 174 | A | A | -2.4598 | |
| 175 | R | A | -3.3932 | |
| 176 | V | A | -3.0440 | |
| 177 | D | A | -3.5737 | |
| 178 | V | A | -1.8124 | |
| 179 | E | A | -3.2163 | |
| 180 | R | A | -3.3504 | |
| 181 | D | A | -3.2071 | |
| 182 | N | A | -2.7043 | |
| 183 | L | A | -1.0946 | |
| 184 | L | A | -0.6483 | |
| 185 | D | A | -3.0325 | |
| 186 | D | A | -2.2574 | |
| 187 | L | A | -0.9405 | |
| 188 | Q | A | -2.3261 | |
| 189 | R | A | -2.8223 | |
| 190 | L | A | -1.3673 | |
| 191 | K | A | -2.7051 | |
| 192 | A | A | -2.5712 | |
| 193 | K | A | -2.9848 | |
| 194 | L | A | -1.3871 | |
| 195 | Q | A | -2.7267 | |
| 196 | E | A | -3.5439 | |
| 197 | E | A | -3.3743 | |
| 198 | I | A | -2.0658 | |
| 199 | Q | A | -3.2774 | |
| 200 | L | A | -2.2772 | |
| 201 | K | A | -4.0346 | |
| 202 | E | A | -4.5828 | |
| 203 | E | A | -4.0705 | |
| 204 | A | A | -2.9415 | |
| 205 | E | A | -3.7135 | |
| 206 | N | A | -3.2721 | |
| 207 | N | A | -1.9890 | |
| 208 | L | A | -0.9863 | |
| 209 | A | A | -0.9466 | |
| 210 | A | A | -0.5240 | |
| 211 | F | A | 0.4128 | |
| 212 | R | A | -1.2620 | |
| 213 | A | A | -1.0590 | |
| 214 | D | A | -1.0909 | |
| 215 | V | A | 0.1712 | |
| 216 | D | A | -1.4570 | |
| 217 | A | A | -0.5652 | |
| 218 | A | A | -0.6638 | |
| 219 | T | A | -0.2220 | |
| 220 | L | A | 0.3839 | |
| 221 | A | A | -0.6228 | |
| 222 | R | A | -2.0986 | |
| 223 | I | A | -1.0958 | |
| 224 | D | A | -2.3981 | |
| 225 | L | A | -1.4912 | |
| 226 | E | A | -2.8751 | |
| 227 | R | A | -3.5945 | |
| 228 | R | A | -2.4115 | |
| 229 | I | A | -1.3430 | |
| 230 | E | A | -3.2907 | |
| 231 | S | A | -2.1944 | |
| 232 | F | A | -0.7365 | mutated: LF232A |
| 233 | N | A | -2.0683 | |
| 234 | E | A | -2.7036 | |
| 235 | E | A | -2.0569 | |
| 236 | I | A | -0.9119 | |
| 237 | A | A | -1.1697 | |
| 238 | F | A | -0.5077 | |
| 239 | L | A | -1.1228 | |
| 240 | K | A | -2.9795 | |
| 241 | K | A | -2.9195 | |
| 242 | V | A | -1.9044 | |
| 243 | H | A | -3.2849 | |
| 244 | E | A | -3.8912 | |
| 245 | E | A | -4.5948 | |
| 246 | E | A | -3.9160 | |
| 247 | I | A | -1.9616 | |
| 248 | R | A | -3.6050 | |
| 249 | E | A | -3.6530 | |
| 250 | L | A | -1.5520 | |
| 251 | Q | A | -2.3612 | |
| 252 | A | A | -2.5422 | |
| 253 | Q | A | -2.2498 | |
| 254 | L | A | -1.3118 | |
| 255 | Q | A | -2.4830 | |
| 256 | E | A | -2.5893 | |
| 257 | Q | A | -2.2878 | |
| 258 | Q | A | -1.7446 | |
| 259 | V | A | -0.2373 | |
| 260 | Q | A | -1.2612 | |
| 261 | V | A | 0.0991 | |
| 262 | E | A | -1.0239 | |
| 263 | M | A | -0.1675 | |
| 264 | D | A | -1.3021 | |
| 265 | M | A | -0.1554 | |
| 266 | S | A | -1.1455 | |
| 267 | K | A | -2.0648 | |
| 268 | P | A | -1.4492 | |
| 269 | D | A | -1.6641 | |
| 270 | L | A | -0.2335 | |
| 271 | T | A | -0.4428 | |
| 272 | A | A | -1.1347 | |
| 273 | A | A | -0.8711 | |
| 274 | L | A | -0.9707 | |
| 275 | R | A | -2.5153 | |
| 276 | D | A | -2.6250 | |
| 277 | I | A | -1.4196 | |
| 278 | R | A | -2.6515 | |
| 279 | A | A | -2.1438 | |
| 280 | Q | A | -1.5540 | |
| 281 | Y | A | -0.6420 | |
| 282 | E | A | -2.0142 | |
| 283 | T | A | -0.8130 | |
| 284 | I | A | 0.0720 | |
| 285 | A | A | -0.2622 | |
| 286 | A | A | -0.5554 | |
| 287 | K | A | -1.5958 | |
| 288 | N | A | -1.6063 | |
| 289 | I | A | 0.1452 | |
| 290 | S | A | -1.2325 | |
| 291 | E | A | -2.1180 | |
| 292 | A | A | -1.3315 | |
| 293 | E | A | -2.7342 | |
| 294 | E | A | -2.8225 | |
| 295 | W | A | -0.8504 | |
| 296 | Y | A | -0.9332 | |
| 297 | K | A | -2.3805 | |
| 298 | S | A | -1.6936 | |
| 299 | K | A | -1.7252 | |
| 300 | V | A | -0.3560 | |
| 301 | S | A | -0.8145 | |
| 302 | D | A | -1.2148 | |
| 303 | L | A | -0.0035 | |
| 304 | T | A | -0.8099 | |
| 305 | Q | A | -1.8937 | |
| 306 | A | A | -1.5427 | |
| 307 | A | A | -1.8947 | |
| 308 | N | A | -3.0611 | |
| 309 | K | A | -3.4068 | |
| 310 | N | A | -3.2879 | |
| 311 | N | A | -3.2238 | |
| 312 | D | A | -3.8160 | |
| 313 | A | A | -2.4313 | |
| 314 | L | A | -1.6354 | |
| 315 | R | A | -3.1944 | |
| 316 | Q | A | -2.9302 | |
| 317 | A | A | -1.9086 | |
| 318 | K | A | -2.2155 | |
| 319 | Q | A | -2.6447 | |
| 320 | E | A | -2.6470 | |
| 321 | M | A | -1.9097 | |
| 322 | M | A | -2.0981 | |
| 323 | E | A | -3.1354 | |
| 324 | Y | A | -1.6221 | |
| 325 | R | A | -2.7175 | |
| 326 | R | A | -3.2436 | mutated: HR326A |
| 327 | Q | A | -1.7813 | |
| 328 | I | A | -0.0933 | |
| 329 | Q | A | -1.4840 | |
| 330 | S | A | -0.9183 | |
| 331 | Y | A | 0.2200 | |
| 332 | T | A | -0.0781 | |
| 333 | C | A | -0.4833 | |
| 334 | E | A | -1.1693 | |
| 335 | I | A | -0.6827 | |
| 336 | D | A | -2.1424 | |
| 337 | P | A | -1.5666 | mutated: AP337A |
| 338 | L | A | -1.0418 | |
| 339 | K | A | -2.7468 | |
| 340 | G | A | -2.2453 | |
| 341 | T | A | -1.5952 | |
| 342 | N | A | -2.5810 | |
| 343 | D | A | -2.7918 | |
| 344 | S | A | -1.9064 | |
| 345 | L | A | -1.2525 | |
| 346 | M | A | -1.6921 | |
| 347 | R | A | -3.3464 | |
| 348 | Q | A | -2.7766 | |
| 349 | M | A | -2.4908 | |
| 350 | R | A | -4.0485 | |
| 351 | E | A | -4.0639 | |
| 352 | L | A | -2.7496 | |
| 353 | E | A | -3.8856 | |
| 354 | D | A | -4.1131 | |
| 355 | R | A | -3.2982 | |
| 356 | F | A | -1.1371 | |
| 357 | A | A | -1.4110 | |
| 358 | S | A | -1.7985 | |
| 359 | E | A | -2.2447 | |
| 360 | A | A | -1.1493 | |
| 361 | S | A | -1.3735 | |
| 362 | G | A | -1.3253 | |
| 363 | Y | A | -0.8994 | |
| 364 | Q | A | -2.0953 | |
| 365 | D | A | -3.0569 | |
| 366 | N | A | -2.3573 | |
| 367 | L | A | -1.7093 | mutated: IL367A |
| 368 | A | A | -2.5800 | |
| 369 | R | A | -3.6295 | |
| 370 | L | A | -2.2740 | |
| 371 | E | A | -3.4890 | |
| 372 | E | A | -4.4088 | |
| 373 | E | A | -3.8544 | |
| 374 | I | A | -2.7414 | |
| 375 | R | A | -4.2392 | |
| 376 | H | A | -3.5566 | |
| 377 | L | A | -2.1445 | |
| 378 | K | A | -3.3350 | |
| 379 | D | A | -3.6371 | |
| 380 | E | A | -2.7009 | |
| 381 | V | A | -1.0740 | mutated: MV381A |
| 382 | A | A | -1.8264 | |
| 383 | R | A | -3.3284 | |
| 384 | H | A | -2.5040 | |
| 385 | L | A | -0.8131 | |
| 386 | R | A | -3.0040 | |
| 387 | E | A | -2.9024 | |
| 388 | Y | A | -0.6218 | |
| 389 | Q | A | -2.0972 | |
| 390 | D | A | -2.2282 | |
| 391 | L | A | 0.3580 | |
| 392 | L | A | -0.0684 | |
| 393 | N | A | -0.8103 | |
| 394 | V | A | 1.1001 | |
| 395 | K | A | -0.1501 | |
| 396 | M | A | 0.6634 | |
| 397 | A | A | 1.0341 | |
| 398 | L | A | 1.1538 | |
| 399 | D | A | -0.1804 | |
| 400 | V | A | 1.3695 | |
| 401 | D | A | 0.3490 | mutated: ED401A |
| 402 | I | A | 1.1865 | |
| 403 | A | A | 0.8323 | |
| 404 | T | A | 0.6438 | |
| 405 | Y | A | 1.2197 | |
| 406 | W | A | 0.7611 | mutated: RW406A |
| 407 | K | A | -1.2583 | |
| 408 | L | A | 0.0610 | |
| 409 | P | A | -1.6084 | mutated: LP409A |
| 410 | E | A | -2.9534 | |
| 411 | G | A | -2.4537 | |
| 412 | D | A | -3.4868 | mutated: ED412A |
| 413 | E | A | -3.5196 | |
| 414 | S | A | -2.4473 | |
| 415 | R | A | -2.5244 | |
| 416 | I | A | -0.2178 | |
| 417 | N | A | -0.6811 | |
| 418 | L | A | 1.1056 | |
| 419 | P | A | 1.0383 | |
| 420 | I | A | 1.9022 | |
| 421 | Q | A | 0.1084 | |
| 422 | T | A | 0.3767 | |
| 423 | Y | A | 1.3677 | |
| 424 | S | A | 0.7435 | |
| 425 | A | A | 0.6774 | |
| 426 | L | A | 1.2314 | |
| 427 | N | A | -0.1617 | |
| 428 | F | A | 0.2208 | |
| 429 | R | A | -1.9257 | |
| 430 | E | A | -2.4055 | |
| 431 | T | A | -1.5514 | |
| 432 | S | A | -1.4914 | |
| 433 | P | A | -1.7377 | |
| 434 | K | A | -2.9960 | mutated: EK434A |
| 435 | Q | A | -3.1707 | |
| 436 | R | A | -3.4433 | |
| 437 | G | A | -2.2911 | |
| 438 | S | A | -1.6087 | |
| 439 | E | A | -1.7176 | |
| 440 | V | A | 0.2065 | |
| 441 | H | A | -0.4973 | |
| 442 | T | A | -0.9975 | |
| 443 | K | A | -2.2141 | |
| 444 | K | A | -2.5629 | |
| 445 | T | A | -1.6669 | |
| 446 | V | A | -0.6721 | |
| 447 | M | A | -0.0639 | |
| 448 | I | A | -0.0195 | |
| 449 | K | A | -1.7107 | |
| 450 | T | A | -1.0546 | |
| 451 | I | A | 0.2619 | |
| 452 | E | A | -0.0331 | |
| 453 | I | A | 1.8098 | mutated: TI453A |
| 454 | W | A | 1.3938 | mutated: RW454A |
| 455 | D | A | -0.8337 | |
| 456 | R | A | -0.7439 | mutated: GR456A |
| 457 | V | A | 2.1333 | mutated: EV457A |
| 458 | V | A | 2.6380 | |
| 459 | V | A | 1.9719 | |
| 460 | S | A | 0.3676 | |
| 461 | E | A | -1.5463 | |
| 462 | A | A | -1.4639 | |
| 463 | T | A | -1.3064 | |
| 464 | Q | A | -1.3701 | |
| 465 | Q | A | -1.9536 | |
| 466 | Q | A | -2.1405 | |
| 467 | H | A | -2.4837 | |
| 468 | E | A | -2.0759 | |
| 469 | V | A | 0.3499 | |
| 470 | L | A | 0.9989 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine